SCHEMBL659172

SCHEMBL659172

COc1cc2c(cc1OC)-c1nn(-c3ccc([N+](=O)[O-])cc3)cc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ APP P05067 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTR1A P08908 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10102263 0.85 HTT (0.46) MEN1NPC1RAB9AKMT2ACA2
SCHEMBL10106845 0.81 CA12 (0.38) MEN1KMT2AAPPCA2CA9
SCHEMBL2711289 0.73 STIM1 (0.46) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL12171516 0.71 CHEK1 (0.50) MEN1KMT2ACA2CA9CA1
SCHEMBL5801103 0.71 HTT (0.53) MEN1NPC1RAB9AKMT2ACA2
SCHEMBL2707383 0.70 DRD4 (0.46) MEN1KMT2AMAOBMAPTALDH1A1
SCHEMBL27337004 0.69 MAPT (0.70) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL5755108 0.69 MAPT (0.54) MEN1RAB9AKMT2ACA2CA9
SCHEMBL4909378 0.67 HTT (0.54) MEN1NPC1RAB9AKMT2ACA2
SCHEMBL29240207 0.66 SIRT6 (0.51) MEN1NPC1RAB9AKMT2ACA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 MEN1 3782/4885NPC1 357/4885RAB9A 3908/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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